Hexanenitrile
TL;DR: Hexanenitrile (CAS 628-73-9) is a chemical compound with molecular formula C6H11N and molecular weight 97.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexanenitrile
Also Known As: HEXANENITRILE, Capronitrile, Hexanonitrile, n-Capronitrile, Pentyl cyanide
| Molecular Formula | C6H11N |
|---|---|
| Molecular Weight | 97.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 97.08915 |
| Heavy Atoms | 7 |
| Complexity | 67.0 |
| Boiling Point | 163.6 °C @760 [mm Hg] |
| Vapor Pressure | 2.85 [mmHg] |
Chemical Identifiers
| CAS Number | 628-73-9 |
|---|---|
| SMILES | CCCCCC#N |
| InChIKey | AILKHAQXUAOOFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanenitrile (CAS 628-73-9), with molecular formula C6H11N and molecular weight 97.09 g/mol. IUPAC: hexanenitrile.
Chemical Property Profile of Hexanenitrile
Property Insights of Hexanenitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, Hexanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanenitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexanenitrile?
The CAS number of Hexanenitrile is 628-73-9.
What is the molecular formula of Hexanenitrile?
The molecular formula of Hexanenitrile is C6H11N.
What is the molecular weight of Hexanenitrile?
The molecular weight of Hexanenitrile is 97.09 g/mol.
Where can I buy Hexanenitrile?
You can request a quote for Hexanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanenitrile?
Yes, KEHONG BIO provides custom synthesis services for Hexanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.